5-Benzofuranpropanol, 2-(3,4-Dimethoxyphenyl)-2,3-Dihydro-3-(Hydroxymethyl)-7-Methoxy-, (2S-Trans)-

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Formula C21H26O6
IUPAC Name 3-[(2s,3r)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propan-1-ol
Molecular Mass 374.428 g·mol−1
Heat of Formation -830.4 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 454.04 Å 3
Surface Area 403.67 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3',4'-dimethoxyphenyl)-2,3-dihydro-3-hydroxymethyl-7-methoxybenzofuran-5-propan-1-ol
  • 3',4-o-dimethylcedrusin
  • 3-[(2s,3r)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
  • 3-[(2s,3r)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propan-1-ol
  • 3-[(2s,3r)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methylol-2,3-dihydrobenzofuran-5-yl]propan-1-ol
  • 4-o-methyldihydrodehydrodiconiferyl alcohol
CAS Number(s)
  • 127179-41-3
InChIKey UVPCDEDIFJYIPT-OXJNMPFZSA-N
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